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Heptafluorobutyric acid, 2-bromo-4-fluorophenyl ester

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Heptafluorobutyric acid, 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 3gz0w2OY28p
InChI InChI=1S/C10H3BrF8O2/c11-5-3-4(12)1-2-6(5)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey WIFDCTLCGYQDNW-UHFFFAOYSA-N
Mol Weight 387.02 g/mol
Molecular Formula C10H3BrF8O2
Exact Mass 385.918868 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2LgTY1bCEp6
Name Heptafluorobutyric acid, 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.918867639 u
Formula C10H3BrF8O2
InChI InChI=1S/C10H3BrF8O2/c11-5-3-4(12)1-2-6(5)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey WIFDCTLCGYQDNW-UHFFFAOYSA-N
Molecular Weight 387.023 g/mol
SMILES C(C(C(F)(F)C(OC1=CC=C(C=C1Br)F)=O)(F)F)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899717